[
  {
    "molid": "mol31828",
    "smiles": "O=C1CC2OCC=C3CN4CCC56c7ccccc7N1C5C2C3CC46",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@H]46",
        "std_free_energy": -4.477787494659424,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C1C[C@H]2OCC=C3C[NH+]4CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@H]46",
        "std_free_energy": -7.906813621520996,
        "relative_population": 0.9946300989799263
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.26,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.1800003,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]